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Details
This molecule without stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
2
S
212.26
209.95
3
T
38.98
43.1
4
T
26.07
30.42
5
T
61.52
62.18
7
T
42.84
42.7
8
T
24.06
24.15
9
T
25.23
25.32
10
T
37.57
38.34
11
D
71.61
71.4
13
T
38.21
37.1
14
T
23.89
25.5
15
T
34.26
32.5
16
D
75.85
71.95
18
D
66.90
59.95
20
D
64.60
67.44
21
T
64.50
61.91
23
D
80.90
78.5
25
D
80.60
81.58
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2
S
209.95
212.26
3
T
43.10
38.98
4
T
30.42
26.07
5
T
62.18
61.52
7
T
42.70
42.84
8
T
24.15
24.06
9
T
25.32
25.23
10
T
38.34
37.57
11
D
71.40
71.61
13
T
37.10
38.21
14
T
25.50
23.89
15
T
32.50
34.26
16
D
71.95
75.85
18
D
59.95
66.9
20
D
67.44
64.6
21
T
61.91
64.5
23
D
78.50
80.9
25
D
81.58
80.6
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